Showing papers by "Jiang-Gao Mao published in 2014"
TL;DR: In this article, two noncentrosymmetric isomeric silver polyiodates, namely, α-AgI3O8 (Pnc2) and β-AgIO8 (I4), have been synthesized through the hydrothermal reactions of AgNO3 with I2O5.
Abstract: Two new noncentrosymmetric isomeric silver polyiodates, namely, α-AgI3O8 (Pnc2) and β-AgI3O8 (I4), have been synthesized through the hydrothermal reactions of AgNO3 with I2O5. Both isomers exhibit layered structures that are constructed from I3O8– anions interconnected by Ag+ cations. The main structural difference between the two isomers lies in the different stacking fashions of [AgI3O8] layers along the c axis in order to meet the requirements of their space groups. Powder second-harmonic generation (SHG) measurements indicate that α-AgI3O8 and β-AgI3O8 are both phase-matchable materials with large SHG responses of approximately 9.0 and 8.0 times that of KH2PO4, respectively. UV–vis–NIR transmission spectra show that the cutoff absorption edges are 328 nm for α-AgI3O8 and 345 nm for β-AgI3O8. Thermal stability studies demonstrate that both isomers are thermally stable up to about 370 °C. Theoretical calculations based on DFT methods for the two AgI3O8 phases as well as the NaI3O8 analogue have been pe...
92 citations
TL;DR: Two new rubidium iodates have been synthesized by hydrothermal reaction and their structures determined by single-crystal X-ray diffraction and thermal stabilities and vibrational spectra for both 1 and 2 have also been studied.
Abstract: Two new rubidium iodates, namely, β-RbIO3(HIO3)2 (1, P1) and Rb3(IO3)3(I2O5)(HIO3)4(H2O) (2, P21/c), have been synthesized by hydrothermal reaction and their structures determined by single-crystal X-ray diffraction. Compound 1 exhibits IO3– anions and neutral HIO3 molecules which are interconnected by Rb+ cations into three-dimensional structure. Compound 2 features a two-dimensional layered structure formed by IO3– anions and neutral HIO3 and dimeric I2O5 molecules interconnected by Rb+ cations. Large bulk crystal of 1 with dimensions of several millimeters has been grown. UV–vis–NIR transmission spectroscopy measurements on a slab of a polished crystal of 1 indicated that the crystal possesses a short-wavelength absorption edge onset at 305 nm. Powder second-harmonic generation (SHG) measurements on sieved crystals revealed that 1 is a type I phase-matchable material with an SHG response about 1.5 times that of KH2PO4. The Vickers hardness of crystal of 1 has been measured to be 110 HV, and the laser-i...
52 citations
TL;DR: Hydrothermal reactions of PbCO3 (or PbCl2), V2O5, and SeO2 in KOH solution or HF solution resulted in three new lead(II)-vanadium(V) mixed-metal selenites, namely, Pb4V6O16(SeO3)3(H2O) (1), Pb2VO2(Se O3)2Cl (2), and PbVO2
Abstract: Hydrothermal reactions of PbCO3 (or PbCl2), V2O5, and SeO2 in KOH solution or HF solution resulted in three new lead(II)–vanadium(V) mixed-metal selenites, namely, Pb4V6O16(SeO3)3(H2O) (1), Pb2VO2(SeO3)2Cl (2), and PbVO2(SeO3)F (3). Compounds 1 and 2 are polar (space group P21), whereas compound 3 is centrosymmetric (space group Pbca). Compound 1 displays an unusual [V6O16(SeO3)3]8– anionic chain, which is composed by a 1D [V4O12]2– anionic chain that is further decorated by dimeric [V2O6(SeO3)3]8– units via corner-sharing. Compound 2 features two types of 1D chains, a cationic [Pb2Cl]3+ chain and a [VO2(SeO3)2]3– anionic chain, whereas compound 3 contains dimeric [V2O4(SeO3)2F2]2– units. The powder second-harmonic-generating (SHG) measurements indicate that compound 1 shows a weak SHG response of about 0.2 × KDP (KH2PO4) under 1400 nm laser radiation. Thermal stability and optical properties as well as theoretical calculations based on density functional theory methods were also performed.
51 citations
TL;DR: In this article, two new mixed metal borates, PbCd2B6O12 and EuZnB5O10, have been synthesized successfully by high-temperature solid state reactions in platinum crucibles.
Abstract: Two new mixed metal borates, namely, PbCd2B6O12 and EuZnB5O10, have been synthesized successfully by high-temperature solid state reactions in platinum crucibles. Both compounds crystallize in the monoclinic space group P21/n. The structure of PbCd2B6O12 features a novel 3D framework of [Cd2B6O12]2− composed of [(B6O12)6−]n layers parallel to the ab plane, dimers of edge-sharing Cd(1)O7 octahedra and 1D chains of edge-sharing Cd(2)O6 octahedra, the Pb2+ ions are located at the voids of the structure. The [(B6O12)6−] layer exhibits 1D tunnels of 8-membered rings (MRs) which are filled by 1D chains of edge-sharing Cd(2)O6 octahedra, forming a novel 2D [CdB6O12]4− layer which is also parallel to the ab plane. Neighboring 2D [CdB6O12]4− layers are bridged by dimers of edge-sharing Cd(1)O7 polyhedra into a novel 3D [Cd2B6O12]2− anionic network. EuZnB5O10 is a new member in the LnMB5O10 (Ln = rare earth ion and M = divalent metal ion) family, its structure features a 3D network constructed of 2D [B5O10]5− layers that are crosslinked by Zn2O10 dimers composed of two edge-sharing ZnO6 octahedra, forming 1D tunnels of Zn4B4 8-membered rings (MRs) along the b-axis which are filled by the Eu3+ ions. The luminescent property measurements revealed that EuZnB5O10 emit strong red light at 610 nm with a 5D0 (Eu3+) lifetime of 1.0 ms and a quantum yield of about 18.4%.
34 citations
TL;DR: Two new boroantimonates, namely, KSbB2O6 and BaSb2B4O12, have been successfully synthesized through high-temperature solid state reactions and studies on their optical properties, thermal stability, and band structure calculations based on DFT methods have been also performed.
Abstract: Two new boroantimonates, namely, KSbB2O6 and BaSb2B4O12, have been successfully synthesized through high-temperature solid state reactions. Their structures feature two types of novel anionic 3D frameworks composed of 1D chains of corner-sharing SbO6 octahedra that are interconnected by B2O5 groups. The 1D chains of corner-sharing SbO6 octahedra in polar KSbB2O6 (space group Cc) are extended along the c-axis, whereas those in the centrosymmetric BaSb2B4O12 (space group C2/c) are propagated along the [101] direction. The K+ ions are located at the 1D tunnels of the anionic frameworks along both b- and c-axis, whereas Ba2+ ions are located at the 1D tunnels of the anionic frameworks along both the a- and c-axis. KSbB2O6 is a polar material that displays weak SHG response, whereas BaSb2B4O12 is centrosymmetric and not SHG active. Studies on their optical properties, thermal stability, and band structure calculations based on DFT methods have been also performed.
28 citations
TL;DR: The 3-D coordination polymer with the basic formula Cd2(TCNQ)3.5(H2O)2 is the first instance of the coexistence of the bridging modes μ2, μ3 and μ4 for TCNQ in one network.
24 citations
TL;DR: In this article, two new barium galloborates, β-BaGa[B4O8(OH)](H2O) (1) and Ba4Ga [B10O18(OH)5]11− clusters and [GaO4]5− tetrahedra are connected with each other to form a 3D network filled by Ba2+ ions and water molecules which consist of 1D tunnels based on unusual Ga3B16 19-member rings (MRs).
Abstract: Two new barium galloborates, namely, β-BaGa[B4O8(OH)](H2O) (1) and Ba4Ga[B10O18(OH)5](H2O) (2), have been synthesized by hydrothermal reactions. Compounds 1 crystallizes in centrosymmetric space group P and displays two-dimensional (2D) anionic layers composed of [B4O8(OH)]5− clusters and [Ga2O8]10− dimers interconnected by B–O–Ga linkages, furthermore Ba2+ ions and water molecules are located at the interlayer space. The neighbouring galloborate layers are connected via hydrogen bonds of water molecules. Compound 2 crystallizes in a polar space group Cc. In the structure, [B10O18(OH)5]11− clusters and [GaO4]5− tetrahedra are connected with each other to form a 3D network filled by Ba2+ ions and water molecules which consist of 1D tunnels based on unusual Ga3B16 19-member rings (MRs). The water molecules are coordinated with the Ba2+ ions and also form hydrogen bonds with the galloborate network. Second harmonic generation (SHG) measurements indicate that compound 2 displays a weak SHG response of about 0.2 times that of KH2PO4 (KDP). Optical properties, ferroelectric properties, piezoelectric properties, thermal stability and theoretical calculations based on density functional theory (DFT) methods of both compounds have also been studied.
20 citations
TL;DR: In this paper, two layered iodates, namely, Cd(IO3)X (X=Cl, OH), were reported to have a unique double layered structure composed of [Cd − O 3 Cl ] n ∞ 1 chains.
12 citations
TL;DR: In this paper, the first mixed-metal tellurites and selenites containing octahedrally coordinated d0 transition metal (TM) cations were obtained in the unexplored mercury(I)-Mo6+-Se4+/Te4++O system.
Abstract: Using Hg2Cl2, MoO3, and TeO2 (or SeO2) as starting materials, four new mixed-metal tellurites and selenites have been obtained in the unexplored mercury(I)–Mo6+–Se4+/Te4+–O system, namely, Hg2MoSeO6 (1), α-Hg2MoTeO6 (2), β-Hg2MoTeO6 (3), and Hg2Mo2TeO9 (4). They represent the first mercury(I) tellurites and selenites containing octahedrally coordinated d0 transition metal (TM) cations. All four compounds are centrosymmetric. They show three types of 3D structures based on Hg22+ dumbbells, MoO6 octahedra, QO32− (Q = Se, Te) or TeO44− anions. Compounds 1–3 feature similar 1D anionic chains of [MoO3(QO3)]2− (Q = Se or Te), in which the 1D chains of corner-sharing MoO6 octahedra are further decorated by bidentate bridging selenite or tellurite anions. Compounds 1 and 2 are isostructural and their 3D network structures are based on 2D mercury tellurite or selenite layers in the ac plane pillared by MoO6 octahedra, whereas the 3D network of β-Hg2MoTeO6 (3) is composed of 1D mercury tellurite chains along the a axis and 1D chains of [MoO3(TeO3)]2− anions along the b axis. Compound 4 features an unusual 3D network structure composed of novel [Mo2O5(TeO4)]2− double layers interconnected by Hg22+ cations. Within the [Mo2O5(TeO4)]2− double layer, the cyclo-Mo4O20 tetramers are further interconnected via corner sharing into a 2D molybdenum oxide double layer with TeO4 groups capping the walls of the thus-formed eight-membered rings (8-MRs). Thermal stabilities and optical properties as well as theoretical calculations based on density functional theory (DFT) methods were also performed.
11 citations
TL;DR: In this paper, the noncentrosymmetric isomeric polyiodates α-AgI3O8 (I) and β-AgIO8 (II) were prepared by hydrothermal reactions of AgNO3 with I2O5 in molar ratios of 1:160 and 1:16, respectively.
Abstract: The noncentrosymmetric isomeric polyiodates α-AgI3O8 (I) and β-AgI3O8 (II) are prepared by hydrothermal reactions of AgNO3 with I2O5 in molar ratios of 1:160 and 1:16, respectively.
4 citations
TL;DR: SrGe2B2O8 (I) and Sr3G2B6O16 (II) are synthesized by solid state reaction of stoichiometric mixtures of stochastic mixture of SrCO3, GeO2, and H3BO3 (Pt crucible, 900 °C, 3 d).
Abstract: SrGe2B2O8 (I) and Sr3Ge2B6O16 (II) are synthesized by solid state reaction of stoichiometric mixtures of SrCO3, GeO2, and H3BO3 (Pt crucible, 900 °C, 3 d).
TL;DR: In this article, the authors show that the inclusion of F− anions in the d0-TM octahedral coordination unit has a great impact on the band structure and the SHG enhancement of the material.
Abstract: The replacement of NbO6 octahedra in Pb2NbO2(SeO3)2Cl by the TiO5F octahedra in Pb2TiOF(SeO3)2Cl induced a very large SHG enhancement from 2.3 × to 9.6 × KDP (KH2PO4), and both materials are type-I phase matchable. Theoretical calculations based on DFT methods indicate that the inclusion of F− anions in the d0-TM octahedral coordination unit has a great impact on the band structure and the SHG enhancement of the material.
TL;DR: In this paper, the new compounds (III, (VI), and (VII) are characterized by single crystal XRD, UV/VIS and IR spectroscopy, second harmonic generation measurements, and DFT electronic structure calculations.
Abstract: The new compounds (III), (VI), and (VII) are characterized by single crystal XRD, UV/VIS and IR spectroscopy, second harmonic generation measurements, and DFT electronic structure calculations.
TL;DR: Two new rubidium iodates, namely, β-RbIO3(HIO3)2 (1, P1) and Rb3(IO3), were synthesized by hydrothermal reaction and their structures determined by single-crystal X-ray diffraction.
Abstract: Two new rubidium iodates, namely, β-RbIO3(HIO3)2 (1, P1) and Rb3(IO3)3(I2O5)(HIO3)4(H2O) (2, P21/c), have been synthesized by hydrothermal reaction and their structures determined by single-crystal X-ray diffraction. Compound 1 exhibits IO3– anions and neutral HIO3 molecules which are interconnected by Rb+ cations into three-dimensional structure. Compound 2 features a two-dimensional layered structure formed by IO3– anions and neutral HIO3 and dimeric I2O5 molecules interconnected by Rb+ cations. Large bulk crystal of 1 with dimensions of several millimeters has been grown. UV–vis–NIR transmission spectroscopy measurements on a slab of a polished crystal of 1 indicated that the crystal possesses a short-wavelength absorption edge onset at 305 nm. Powder second-harmonic generation (SHG) measurements on sieved crystals revealed that 1 is a type I phase-matchable material with an SHG response about 1.5 times that of KH2PO4. The Vickers hardness of crystal of 1 has been measured to be 110 HV, and the laser-i...
TL;DR: In this paper, single crystals of the title compounds are prepared by solid state reaction of K2CO3 or Ba(OH)2, Sb2O3, and H3BO3 (Pt crucibles, 850 °C, 33 h)
Abstract: Single crystals of the title compounds are prepared by solid state reaction of K2CO3 or Ba(OH)2, Sb2O3, and H3BO3 (Pt crucibles, 850 °C, 33 h)
TL;DR: The layered iodate Cd(IO3)Cl (I) was prepared by hydrothermal reaction of CdCl2 and I2O5 (H2O, autoclave, 200 °C, 4 d, 82% yield).
Abstract: The layered iodate Cd(IO3)Cl (I) is prepared by hydrothermal reaction of CdCl2 and I2O5 (H2O, autoclave, 200 °C, 4 d, 82% yield).